N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide

C27H24N2O2 — CID 46101224

IUPACN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1ccccc1
InChIInChI=1S/C27H24N2O2/c1-2-22(18-8-4-3-5-9-18)27(30)28-21-15-12-20(13-16-21)26-24-17-14-19-10-6-7-11-23(19)25(24)29-31-26/h3-13,15-16,22H,2,14,17H2,1H3,(H,28,30)
InChIKeyYPXNAUPCKHRFJX-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.24
Rot. Bonds5

About N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide

N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide (PubChem CID 46101224) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide
PubChem CID46101224
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1ccccc1
InChIInChI=1S/C27H24N2O2/c1-2-22(18-8-4-3-5-9-18)27(30)28-21-15-12-20(13-16-21)26-24-17-14-19-10-6-7-11-23(19)25(24)29-31-26/h3-13,15-16,22H,2,14,17H2,1H3,(H,28,30)
InChIKeyYPXNAUPCKHRFJX-UHFFFAOYSA-N
XLogP6.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide
CID 46101113
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide
CID 46101067
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
(3R)-N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,3,5,5-tetramethylhexanamide
CID 92768718
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide (CID 46101224) is N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide?
The InChIKey is YPXNAUPCKHRFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-2-22(18-8-4-3-5-9-18)27(30)28-21-15-12-20(13-16-21)26-24-17-14-19-10-6-7-11-23(19)25(24)29-31-26/h3-13,15-16,22H,2,14,17H2,1H3,(H,28,30).
What are the key properties of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide?
N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide has a molecular weight of 408.50 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 46101224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).